2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione

C26H28N6O4 — CID 167723501

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCC(c5ncc6c(n5)CCNC6)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N6O4/c33-22-4-3-21(24(34)30-22)32-25(35)18-2-1-15(11-19(18)26(32)36)14-31-9-6-16(7-10-31)23-28-13-17-12-27-8-5-20(17)29-23/h1-2,11,13,16,21,27H,3-10,12,14H2,(H,30,33,34)
InChIKeyYACRZMNAXOIYTQ-UHFFFAOYSA-N
MW488.55 g/mol
LogP0.90
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 167723501) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID167723501
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CCC(c5ncc6c(n5)CCNC6)CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N6O4/c33-22-4-3-21(24(34)30-22)32-25(35)18-2-1-15(11-19(18)26(32)36)14-31-9-6-16(7-10-31)23-28-13-17-12-27-8-5-20(17)29-23/h1-2,11,13,16,21,27H,3-10,12,14H2,(H,30,33,34)
InChIKeyYACRZMNAXOIYTQ-UHFFFAOYSA-N
XLogP0.90
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
2-(2,6-dioxopiperidin-3-yl)-5-[[4-(2-piperazin-1-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167724738
5-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740032
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperazin-1-ylazetidin-1-yl)methyl]isoindole-1,3-dione
CID 167720853
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-2,6-naphthyridin-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731647
5-[[4-(6-amino-3-pyridinyl)piperazin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168872170
5-[[(4aR,8aS)-3-oxo-1,2,4,4a,5,7,8,8a-octahydropyrido[3,4-b]pyrazin-6-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736404
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
2-(2,6-dioxopiperidin-3-yl)-5-[[4-(2-hydroxyethylamino)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167730242
5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741570

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione (CID 167723501) is 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CCC(c5ncc6c(n5)CCNC6)CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is YACRZMNAXOIYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c33-22-4-3-21(24(34)30-22)32-25(35)18-2-1-15(11-19(18)26(32)36)14-31-9-6-16(7-10-31)23-28-13-17-12-27-8-5-20(17)29-23/h1-2,11,13,16,21,27H,3-10,12,14H2,(H,30,33,34).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 488.55 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167723501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).